REMARK Name = BDB006370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.494 -0.882 4.338 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.286 -1.106 2.880 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.076 -0.565 1.820 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.528 -1.005 0.613 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -1.067 -0.619 -0.628 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -2.189 0.218 -0.638 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.770 0.652 0.555 0.00 0.00 +0.037 A ATOM 8 N LIG 1 0.559 -1.803 0.929 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -2.210 0.275 1.785 0.00 0.00 +0.023 A ATOM 10 C LIG 1 0.710 -1.878 2.301 0.00 0.00 +0.020 A ATOM 11 C LIG 1 1.804 -2.654 2.956 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.964 1.543 0.578 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.800 1.488 -0.515 0.00 0.00 -0.302 N ATOM 14 H LIG 1 -4.672 0.773 -1.218 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -4.187 2.262 1.546 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 CA LIG 1 -6.028 2.275 -0.574 0.00 0.00 +0.129 C BRANCH 16 17 ATOM 17 C LIG 1 -6.984 1.608 -1.557 0.00 0.00 -0.025 A ATOM 18 C LIG 1 -7.272 2.125 -2.828 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -8.139 1.453 -3.695 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.728 0.252 -3.307 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -8.452 -0.280 -2.051 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -7.588 0.391 -1.185 0.00 0.00 +0.005 A ENDBRANCH 16 17 BRANCH 16 23 ATOM 23 C LIG 1 -5.712 3.770 -0.836 0.00 0.00 +0.182 C BRANCH 23 24 ATOM 24 O LIG 1 -6.874 4.596 -0.759 0.00 0.00 -0.393 OA ATOM 25 H LIG 1 -7.215 4.520 0.149 0.00 0.00 +0.209 HD ENDBRANCH 23 24 ENDBRANCH 16 23 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 26 ATOM 26 C LIG 1 1.390 -2.503 -0.052 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 2.759 -1.889 -0.232 0.00 0.00 -0.028 A ATOM 28 C LIG 1 3.887 -2.719 -0.304 0.00 0.00 +0.006 A ATOM 29 C LIG 1 5.163 -2.178 -0.488 0.00 0.00 +0.009 A ATOM 30 C LIG 1 5.345 -0.793 -0.611 0.00 0.00 -0.017 A ATOM 31 C LIG 1 4.214 0.034 -0.561 0.00 0.00 +0.009 A ATOM 32 C LIG 1 2.937 -0.506 -0.378 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 6.684 -0.225 -0.816 0.00 0.00 -0.004 A ATOM 34 C LIG 1 7.654 -0.117 0.204 0.00 0.00 +0.067 A ATOM 35 C LIG 1 8.927 0.407 -0.087 0.00 0.00 +0.015 A ATOM 36 C LIG 1 9.246 0.827 -1.378 0.00 0.00 +0.001 A ATOM 37 C LIG 1 8.297 0.732 -2.389 0.00 0.00 +0.001 A ATOM 38 C LIG 1 7.032 0.212 -2.111 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 7.351 -0.508 1.607 0.00 0.00 +0.337 C ATOM 40 O LIG 1 6.278 -0.480 2.177 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 8.454 -0.939 2.252 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 8.116 -1.167 3.144 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 10